3-amino-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide

C13H18N2O2 — CID 115161488

IUPAC3-amino-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC(N)C2)cc1
InChIInChI=1S/C13H18N2O2/c1-17-12-4-2-9(3-5-12)8-15-13(16)10-6-11(14)7-10/h2-5,10-11H,6-8,14H2,1H3,(H,15,16)
InChIKeyAYWKNHNTUZRQGM-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.05
Rot. Bonds4

About 3-amino-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide

3-amino-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide (PubChem CID 115161488) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-amino-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
PubChem CID115161488
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-amino-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC(N)C2)cc1
InChIInChI=1S/C13H18N2O2/c1-17-12-4-2-9(3-5-12)8-15-13(16)10-6-11(14)7-10/h2-5,10-11H,6-8,14H2,1H3,(H,15,16)
InChIKeyAYWKNHNTUZRQGM-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119805976
cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 7772441
(1R)-2,2-dichloro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 7959638
3-[[(4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine
CID 115214033
N-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145605
N-[(4-methoxyphenyl)methyl]-6-methylpiperidine-3-carboxamide
CID 24700714
N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide
CID 110851625
methyl 4-[4-[[(3-aminocyclopentanecarbonyl)amino]methyl]phenoxy]butanoate
CID 119787943
3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119673157
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119309414
2-N-butyl-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109131241

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide (CID 115161488) is 3-amino-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide is COc1ccc(CNC(=O)C2CC(N)C2)cc1.
What is the InChIKey of 3-amino-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is AYWKNHNTUZRQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-12-4-2-9(3-5-12)8-15-13(16)10-6-11(14)7-10/h2-5,10-11H,6-8,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide?
3-amino-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115161488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).